[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

C22H18ClFN6O3 — CID 90422559

IUPAC[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC2c2noc(-c3cccc(F)c3C)n2)c(-n2nccn2)cc1Cl
InChIInChI=1S/C22H18ClFN6O3/c1-12-13(4-3-5-16(12)24)21-27-20(28-33-21)17-6-9-29(17)22(31)14-10-19(32-2)15(23)11-18(14)30-25-7-8-26-30/h3-5,7-8,10-11,17H,6,9H2,1-2H3
InChIKeyDCCVKITYDJJUIE-UHFFFAOYSA-N
MW468.88 g/mol
LogP4.01
Rot. Bonds5

About [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (PubChem CID 90422559) has the molecular formula C22H18ClFN6O3 and a molecular weight of 468.88 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
PubChem CID90422559
Molecular FormulaC22H18ClFN6O3
Molecular Weight468.88 g/mol
Exact Mass468.11
IUPAC Name[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC2c2noc(-c3cccc(F)c3C)n2)c(-n2nccn2)cc1Cl
InChIInChI=1S/C22H18ClFN6O3/c1-12-13(4-3-5-16(12)24)21-27-20(28-33-21)17-6-9-29(17)22(31)14-10-19(32-2)15(23)11-18(14)30-25-7-8-26-30/h3-5,7-8,10-11,17H,6,9H2,1-2H3
InChIKeyDCCVKITYDJJUIE-UHFFFAOYSA-N
XLogP4.01
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.88
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The IUPAC name of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (CID 90422559) is [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The canonical SMILES for [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is COc1cc(C(=O)N2CCC2c2noc(-c3cccc(F)c3C)n2)c(-n2nccn2)cc1Cl.
What is the InChIKey of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The InChIKey is DCCVKITYDJJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6O3/c1-12-13(4-3-5-16(12)24)21-27-20(28-33-21)17-6-9-29(17)22(31)14-10-19(32-2)15(23)11-18(14)30-25-7-8-26-30/h3-5,7-8,10-11,17H,6,9H2,1-2H3.
What are the key properties of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone has a molecular weight of 468.88 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 90422559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).